Cas no 1344027-40-2 (5-Bromo-2-methylthiophene-3-carboxylic acid)

5-Bromo-2-methylthiophene-3-carboxylic acid structure
1344027-40-2 structure
Product Name:5-Bromo-2-methylthiophene-3-carboxylic acid
CAS No:1344027-40-2
MF:C6H5BrO2S
MW:221.071699857712
MDL:MFCD20278363
CID:2950565
PubChem ID:65639309
Update Time:2025-03-27

5-Bromo-2-methylthiophene-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-溴-2-甲基噻吩-3-羧酸
    • 5-bromo-2-methylthiophene-3-carboxylic acid
    • 5-Bromo-2-methyl-thiophene-3-carboxylic acid
    • 3123AJ
    • SB32932
    • 5-bromo-2-methylthiophene-3-carboxylicacid
    • W11336
    • A928053
    • 1344027-40-2
    • Z1267558920
    • CS-0080177
    • EN300-248839
    • SY123720
    • WYEYXOWAHAJXHE-UHFFFAOYSA-N
    • AS-54942
    • A1-01197
    • AKOS014978179
    • MFCD20278363
    • SCHEMBL365155
    • UDC02740
    • 847-233-1
    • 5-Bromo-2-methylthiophene-3-carboxylic acid
    • MDL: MFCD20278363
    • Inchi: 1S/C6H5BrO2S/c1-3-4(6(8)9)2-5(7)10-3/h2H,1H3,(H,8,9)
    • InChI Key: WYEYXOWAHAJXHE-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C(=O)O)=C(C)S1

Computed Properties

  • Exact Mass: 219.91936g/mol
  • Monoisotopic Mass: 219.91936g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 151
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 65.5

Experimental Properties

  • Density: 1.8±0.1 g/cm3
  • Boiling Point: 318.8±42.0 °C at 760 mmHg
  • Flash Point: 146.6±27.9 °C
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

5-Bromo-2-methylthiophene-3-carboxylic acid Security Information

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